N'-methyl-N-(4-oxochromen-6-yl)-N'-[2-(2-oxopyrrolidin-1-yl)ethyl]oxamide

C18H19N3O5 — CID 166260382

IUPACN'-methyl-N-(4-oxochromen-6-yl)-N'-[2-(2-oxopyrrolidin-1-yl)ethyl]oxamide
SMILESCN(CCN1CCCC1=O)C(=O)C(=O)Nc1ccc2occc(=O)c2c1
InChIInChI=1S/C18H19N3O5/c1-20(8-9-21-7-2-3-16(21)23)18(25)17(24)19-12-4-5-15-13(11-12)14(22)6-10-26-15/h4-6,10-11H,2-3,7-9H2,1H3,(H,19,24)
InChIKeyZBBCKTDDVYMARV-UHFFFAOYSA-N
MW357.37 g/mol
LogP0.81
Rot. Bonds4

About N'-methyl-N-(4-oxochromen-6-yl)-N'-[2-(2-oxopyrrolidin-1-yl)ethyl]oxamide

N'-methyl-N-(4-oxochromen-6-yl)-N'-[2-(2-oxopyrrolidin-1-yl)ethyl]oxamide (PubChem CID 166260382) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is N'-methyl-N-(4-oxochromen-6-yl)-N'-[2-(2-oxopyrrolidin-1-yl)ethyl]oxamide.

Molecular Properties

Compound NameN'-methyl-N-(4-oxochromen-6-yl)-N'-[2-(2-oxopyrrolidin-1-yl)ethyl]oxamide
PubChem CID166260382
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC NameN'-methyl-N-(4-oxochromen-6-yl)-N'-[2-(2-oxopyrrolidin-1-yl)ethyl]oxamide
SMILESCN(CCN1CCCC1=O)C(=O)C(=O)Nc1ccc2occc(=O)c2c1
InChIInChI=1S/C18H19N3O5/c1-20(8-9-21-7-2-3-16(21)23)18(25)17(24)19-12-4-5-15-13(11-12)14(22)6-10-26-15/h4-6,10-11H,2-3,7-9H2,1H3,(H,19,24)
InChIKeyZBBCKTDDVYMARV-UHFFFAOYSA-N
XLogP0.81
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(4-oxochromen-6-yl)-N'-[2-(2-oxopyrrolidin-1-yl)ethyl]oxamide?
The IUPAC name of N'-methyl-N-(4-oxochromen-6-yl)-N'-[2-(2-oxopyrrolidin-1-yl)ethyl]oxamide (CID 166260382) is N'-methyl-N-(4-oxochromen-6-yl)-N'-[2-(2-oxopyrrolidin-1-yl)ethyl]oxamide.
What is the SMILES notation for N'-methyl-N-(4-oxochromen-6-yl)-N'-[2-(2-oxopyrrolidin-1-yl)ethyl]oxamide?
The canonical SMILES for N'-methyl-N-(4-oxochromen-6-yl)-N'-[2-(2-oxopyrrolidin-1-yl)ethyl]oxamide is CN(CCN1CCCC1=O)C(=O)C(=O)Nc1ccc2occc(=O)c2c1.
What is the InChIKey of N'-methyl-N-(4-oxochromen-6-yl)-N'-[2-(2-oxopyrrolidin-1-yl)ethyl]oxamide?
The InChIKey is ZBBCKTDDVYMARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5/c1-20(8-9-21-7-2-3-16(21)23)18(25)17(24)19-12-4-5-15-13(11-12)14(22)6-10-26-15/h4-6,10-11H,2-3,7-9H2,1H3,(H,19,24).
What are the key properties of N'-methyl-N-(4-oxochromen-6-yl)-N'-[2-(2-oxopyrrolidin-1-yl)ethyl]oxamide?
N'-methyl-N-(4-oxochromen-6-yl)-N'-[2-(2-oxopyrrolidin-1-yl)ethyl]oxamide has a molecular weight of 357.37 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(4-oxochromen-6-yl)-N'-[2-(2-oxopyrrolidin-1-yl)ethyl]oxamide is sourced from PubChem (CID 166260382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).